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MolNFT v1 · #123853 · protein

Crystal structure of murine TNFAIP8 C165S mutant

5JXD · Tumor necrosis factor alpha-induced protein 8: “Crystal structure of murine TNFAIP8 C165S mutant”. X-ray diffraction, 1 ligand (6OU), 2 pockets (best druggability 0.83). MolNFT v1 #123853 on GenesisL1: 3D structure, binding sites…

PDB
5JXD
Type
protein
Length
186 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tumor necrosis factor alpha-induced protein 8
UniProt
Q921Z5
Ligands
6OU
Pockets
2 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 77% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATumor necrosis factor alpha-induced protein 8protein18677% helix, 0% strandQ921Z5

Ligands and binding sites

  • 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15630.830.88456OU
2600.340.7714empty

Compared structures

  • 5JXD · Crystal structure of murine Tnfaip8 C165S mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • Q921Z5 · AlphaFold monomer V2.0 prediction for tumor necrosis factor alpha- induced protein 8… · a predicted model of the same protein · chain A against A, TM-score 0.86

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